Information card for entry 7219918

Structure parameters

• Formula: C18 H16 Cl Mo N O2
• Calculated formula: C18 H16 Cl Mo N O2
• SMILES: [Mo]1234(Cl)([n]5ccccc5)(C#[O])(C#[O])[cH]5[cH]3[c]32[c]1(c(ccc3C)C)[cH]45
• Title of publication: Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere
• Authors of publication: Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 27140
• a: 13.0251 ± 0.0012 Å
• b: 9.116 ± 0.0003 Å
• c: 14.085 ± 0.001 Å
• α: 90°
• β: 95.768 ± 0.009°
• γ: 90°
• Cell volume: 1663.9 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No